溴替唑仑
TL;DR: 溴替唑仑 (CAS 57801-81-7) is a chemical compound with molecular formula C15H10BrClN4S and molecular weight 391.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴替唑仑
4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Also Known As: brotizolam, Lendormin, Lendorm, Mederantil, Sintonal
| Molecular Formula | C15H10BrClN4S |
|---|---|
| Molecular Weight | 391.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.9498 |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
| Melting Point | 211-213 |
Chemical Identifiers
| CAS Number | 57801-81-7 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl |
| InChIKey | UMSGKTJDUHERQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴替唑仑 (CAS 57801-81-7), with molecular formula C15H10BrClN4S and molecular weight 391.95 g/mol. IUPAC: 4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.
Chemical Property Profile of 溴替唑仑
Property Insights of 溴替唑仑
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴替唑仑. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴替唑仑. Following Lipinski's Rule of Five, 溴替唑仑 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴替唑仑?
The CAS number of 溴替唑仑 is 57801-81-7.
What is the molecular formula of 溴替唑仑?
The molecular formula of 溴替唑仑 is C15H10BrClN4S.
What is the molecular weight of 溴替唑仑?
The molecular weight of 溴替唑仑 is 391.95 g/mol.
Where can I buy 溴替唑仑?
You can request a quote for 溴替唑仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴替唑仑?
Yes, KEHONG BIO provides custom synthesis services for 溴替唑仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.